(phenylmethyl) 2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethylsulfanylmethanoate

Systemtic Name: (phenylmethyl) 2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethylsulfanylmethanoate Openeye Name: benzyl 2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethylsulfanylformate CAS Name: [2-[4-methyl-3-[[oxo-(phenethylamino)methyl]amino]-1-(1-oxo-3-phenylpropyl)-2-piperazinyl]ethylthio]formic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethylsulfanylformate Traditional Name: [2-[1-hydrocinnamoyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethylthio]formic acid benzyl ester Formula: C33H40N4O4S MolecularWeight: 588.7601

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1NC(=O)NCCC2=CC=CC=C2)CCSC(=O)OCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(C(C1NC(=O)NCCC2=CC=CC=C2)CCSC(=O)OCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C33H40N4O4S/c1-36-22-23-37(30(38)18-17-26-11-5-2-6-12-26)29(20-24-42-33(40)41-25-28-15-9-4-10-16-28)31(36)35-32(39)34-21-19-27-13-7-3-8-14-27/h2-16,29,31H,17-25H2,1H3,(H2,34,35,39)